7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]purine-2,6-dione Openeye Name: 8-[[benzyl(methyl)amino]methyl]-7-butyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]purine-2,6-dione IUPAC Name: 8-[[benzyl(methyl)amino]methyl]-7-butyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[benzyl(methyl)amino]methyl]-7-butyl-1,3-dimethyl-xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-5-6-12-25-16(14-22(2)13-15-10-8-7-9-11-15)21-18-17(25)19(26)24(4)20(27)23(18)3/h7-11H,5-6,12-14H2,1-4H3